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Browsing by Author Roy, Rajarshi

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Issue DateTitleAuthor(s)
20234″-Alkyl EGCG Derivatives Induce Cytoprotective Autophagy Response by Inhibiting EGFR in Glioblastoma CellsSingh, Satyam; Ghosh, Priya K.; Roy, Rajarshi; Kar, Parimal; Sonavane, Avinash
2023Activation-induced cytidine deaminase an antibody diversification enzyme interacts with chromatin modifier UBN1 in B-cellsJaiswal, Ankit; Roy, Rajarshi; Tamrakar, Anubhav; Singh, Amit Kumar; Kar, Parimal; Kodgire, Prashant
2022Comparative Structural Dynamics of Isoforms of Helicobacter pylori Adhesin BabA Bound to Lewis b Hexasaccharide via Multiple Replica Molecular Dynamics SimulationsRoy, Rajarshi; Jonniya, Nisha Amarnath; Sk, Md Fulbabu; Kar, Parimal
2020Computational Investigation of Structural Dynamics of SARS-CoV-2 Methyltransferase-Stimulatory Factor Heterodimer nsp16/nsp10 Bound to the Cofactor SAMSk, Md Fulbabu; Jonniya, Nisha Amarnath; Roy, Rajarshi; Poddar, Sayan; Kar, Parimal
2024The conformational dynamics of Hepatitis C Virus E2 glycoprotein with the increasing number of N-glycosylation unraveled by molecular dynamics simulationsPoddar, Sayan; Roy, Rajarshi; Kar, Parimal
2022Conformational preferences of triantennary and tetraantennary hybrid N-glycans in aqueous solution: Insights from 20 μs long atomistic molecular dynamic simulationsRoy, Rajarshi; Poddar, Sayan; Sk, Md Fulbabu; Kar, Parimal
2022Discovery of potential competitive inhibitors against With-No-Lysine kinase 1 for treating hypertension by virtual screening, inverse pharmacophore-based lead optimization, and molecular dynamics simulationsJonniya, Nisha Amarnath; Sk, Md Fulbabu; Roy, Rajarshi; Kar, Parimal
2022Effect of Sulfation on the Conformational Dynamics of Dermatan Sulfate Glycosaminoglycan: A Gaussian Accelerated Molecular Dynamics StudyRoy, Rajarshi; Jonniya, Nisha Amarnath; Kar, Parimal
2021Elucidating biophysical basis of binding of inhibitors to SARS-CoV-2 main protease by using molecular dynamics simulations and free energy calculationsSk, Md Fulbabu; Roy, Rajarshi; Jonniya, Nisha Amarnath; Poddar, Sayan; Kar, Parimal
2023Elucidating the conformational dynamics of histo-blood group antigens and their interactions with the rotavirus spike protein through computational lensPoddar, Sayan; Roy, Rajarshi; Kar, Parimal
2021Exploring the potency of currently used drugs against HIV-1 protease of subtype D variant by using multiscale simulationsSk, Md Fulbabu; Roy, Rajarshi; Kar, Parimal
2021Finding potent inhibitors against SARS-CoV-2 main protease through virtual screening, ADMET, and molecular dynamics simulation studiesRoy, Rajarshi; Sk, Md Fulbabu; Jonniya, Nisha Amarnath; Poddar, Sayan; Kar, Parimal
2022-07-22Glycans in silico: investigating conformational dynamics and interactions with proteinsKar, Parimal; Roy, Rajarshi
2021An in-silico study on selected organosulfur compounds as potential drugs for SARS-CoV-2 infection via binding multiple drug targetsSingh, Satyam; Roy, Rajarshi; Kar, Parimal
2020Investigating Conformational Dynamics of Lewis y Oligosaccharides and Elucidating Blood Group Dependency of Cholera Using Molecular DynamicsRoy, Rajarshi; Kar, Parimal
2021Investigating potency of TMC-126 against wild-type and mutant variants of HIV-1 protease: a molecular dynamics and free energy studySk, Md Fulbabu; Roy, Rajarshi; Kar, Parimal
2020Investigating the mechanism of recognition and structural dynamics of nucleoprotein-RNA complex from Peste des petits ruminants virus via Gaussian accelerated molecular dynamics simulationsRoy, Rajarshi; Mishra, Anurag R.; Poddar, Sayan; Nayak, Debasis; Kar, Parimal
2018Perceptual filling-in of blind-spot for surrounding color gradient stimuliRoy, Rajarshi
2021Phosphorylation-Induced Conformational Dynamics and Inhibition of Janus Kinase 1 by Suppressors of Cytokine Signaling 1Sk, Md Fulbabu; Jonniya, Nisha Amarnath; Roy, Rajarshi; Kar, Parimal
2022Plant-derived active compounds as a potential nucleocapsid protein inhibitor of SARS-CoV-2: an in-silico studyKashyap, Dharmendra; Roy, Rajarshi; Kar, Parimal; Jha, Hem Chandra
Showing results 1 to 20 of 25  next >